2-(2-ethoxycarbonyl-4-fluorophenyl)acetic acid

C11H11FO4 — CID 91882242

IUPAC2-(2-ethoxycarbonyl-4-fluorophenyl)acetic acid
SMILESCCOC(=O)c1cc(F)ccc1CC(=O)O
InChIInChI=1S/C11H11FO4/c1-2-16-11(15)9-6-8(12)4-3-7(9)5-10(13)14/h3-4,6H,2,5H2,1H3,(H,13,14)
InChIKeyPVXPQVDSIPBNFL-UHFFFAOYSA-N
MW226.20 g/mol
LogP1.63
Rot. Bonds4

About 2-(2-ethoxycarbonyl-4-fluorophenyl)acetic acid

2-(2-ethoxycarbonyl-4-fluorophenyl)acetic acid (PubChem CID 91882242) has the molecular formula C11H11FO4 and a molecular weight of 226.20 g/mol. Its IUPAC name is 2-(2-ethoxycarbonyl-4-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-(2-ethoxycarbonyl-4-fluorophenyl)acetic acid
PubChem CID91882242
Molecular FormulaC11H11FO4
Molecular Weight226.20 g/mol
Exact Mass226.06
IUPAC Name2-(2-ethoxycarbonyl-4-fluorophenyl)acetic acid
SMILESCCOC(=O)c1cc(F)ccc1CC(=O)O
InChIInChI=1S/C11H11FO4/c1-2-16-11(15)9-6-8(12)4-3-7(9)5-10(13)14/h3-4,6H,2,5H2,1H3,(H,13,14)
InChIKeyPVXPQVDSIPBNFL-UHFFFAOYSA-N
XLogP1.63
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;ethyl 5-fluoro-2-methylbenzoate
CID 143556291
2-(2-ethoxy-2-oxoethyl)-5-fluorobenzoic acid
CID 169448838
ethyl 5-fluoro-2-formylbenzoate
CID 124705480
2-(4-ethoxycarbonyl-2,5-difluorophenyl)acetic acid
CID 10444484
ethyl 2-[[4-(2-ethoxy-2-oxoethyl)phenoxy]methyl]-5-fluorobenzoate
CID 21269162
ethyl 5-fluoro-2-propan-2-yloxybenzoate
CID 82551429
2-O-(2,2-dimethylpropyl) 1-O-ethyl 4-fluorobenzene-1,2-dicarboxylate
CID 69124983
2-(4-fluoro-2-methylphenyl)acetic acid
CID 5016950
ethyl 4-fluoro-2-hydrazinylbenzoate
CID 131143965
diethyl 6-fluoroquinoline-2,3-dicarboxylate
CID 13351927
4-(2-ethoxycarbonyl-5-fluorophenyl)-3,4-dihydroxybutanoic acid
CID 171878533
ethyl 2-chloro-7-fluoroquinoline-4-carboxylate
CID 170330637

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxycarbonyl-4-fluorophenyl)acetic acid?
The IUPAC name of 2-(2-ethoxycarbonyl-4-fluorophenyl)acetic acid (CID 91882242) is 2-(2-ethoxycarbonyl-4-fluorophenyl)acetic acid.
What is the SMILES notation for 2-(2-ethoxycarbonyl-4-fluorophenyl)acetic acid?
The canonical SMILES for 2-(2-ethoxycarbonyl-4-fluorophenyl)acetic acid is CCOC(=O)c1cc(F)ccc1CC(=O)O.
What is the InChIKey of 2-(2-ethoxycarbonyl-4-fluorophenyl)acetic acid?
The InChIKey is PVXPQVDSIPBNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO4/c1-2-16-11(15)9-6-8(12)4-3-7(9)5-10(13)14/h3-4,6H,2,5H2,1H3,(H,13,14).
What are the key properties of 2-(2-ethoxycarbonyl-4-fluorophenyl)acetic acid?
2-(2-ethoxycarbonyl-4-fluorophenyl)acetic acid has a molecular weight of 226.20 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxycarbonyl-4-fluorophenyl)acetic acid is sourced from PubChem (CID 91882242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).